BRD-SF2 | AnyMole

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HIT219648539

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HIT219648539

HIT ID:HIT219648539
Cas No:
常用名:BRD-SF2
IUPAC:(3R,5S)-5-{[(1S)-2-[(2-{2-[2-(2-{4-[1-(1,3-dimethoxypropan-2-yl)-2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-1,3-benzodiazol-5-yl]piperidin-1-yl}-2-oxoethoxy)ethoxy]ethoxy}ethyl)carbamoyl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl}-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-3-sulfonyl fluoride
IUPAC:(3R,5S)-5-{[(1S)-2-[(2-{2-[2-(2-{4-[1-(1,3-dimethoxypropan-2-yl)-2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1H-1,3-benzodiazol-5-yl]piperidin-1-yl}-2-oxoethoxy)ethoxy]ethoxy}ethyl)carbamoyl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl}-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-3-sulfonyl fluoride
InChI key:InChIKey=DLPOGGWVBFQJJL-KWDBKFNPSA-N

分子式:C59H76FN9O13S2
分子量:1202.43
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COCC(COC)n1c(nc2cc(ccc12)C1CCN(CC1)C(=O)COCCOCCOCCNC(=O)C[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)C)c1cc(C)no1)S(F)(=O)=O)c1ccc(cc1)-c1scnc1C)-c1cc(C)c(=O)n(C)c1
SMILES:COCC(COC)n1c(nc2cc(ccc12)C1CCN(CC1)C(=O)COCCOCCOCCNC(=O)C[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)C)c1cc(C)no1)S(F)(=O)=O)c1ccc(cc1)-c1scnc1C)-c1cc(C)c(=O)n(C)c1

BRD-SF2 是一种针对BRD4的PROTAC降解剂 (DC50: 17.2 μM)。

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1

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